(2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone

C23H24F2N6O — CID 164620516

IUPAC(2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
SMILESCc1cnc(Nc2ccc3c(c2)CCN3C(=O)C2CC2(F)F)nc1-c1cnn(C(C)C)c1
InChIInChI=1S/C23H24F2N6O/c1-13(2)31-12-16(11-27-31)20-14(3)10-26-22(29-20)28-17-4-5-19-15(8-17)6-7-30(19)21(32)18-9-23(18,24)25/h4-5,8,10-13,18H,6-7,9H2,1-3H3,(H,26,28,29)
InChIKeyULVGHBLPDHPYKM-UHFFFAOYSA-N
MW438.48 g/mol
LogP4.52
Rot. Bonds5

About (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone

(2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone (PubChem CID 164620516) has the molecular formula C23H24F2N6O and a molecular weight of 438.48 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
PubChem CID164620516
Molecular FormulaC23H24F2N6O
Molecular Weight438.48 g/mol
Exact Mass438.20
IUPAC Name(2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone
SMILESCc1cnc(Nc2ccc3c(c2)CCN3C(=O)C2CC2(F)F)nc1-c1cnn(C(C)C)c1
InChIInChI=1S/C23H24F2N6O/c1-13(2)31-12-16(11-27-31)20-14(3)10-26-22(29-20)28-17-4-5-19-15(8-17)6-7-30(19)21(32)18-9-23(18,24)25/h4-5,8,10-13,18H,6-7,9H2,1-3H3,(H,26,28,29)
InChIKeyULVGHBLPDHPYKM-UHFFFAOYSA-N
XLogP4.52
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone (CID 164620516) is (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone is Cc1cnc(Nc2ccc3c(c2)CCN3C(=O)C2CC2(F)F)nc1-c1cnn(C(C)C)c1.
What is the InChIKey of (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
The InChIKey is ULVGHBLPDHPYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O/c1-13(2)31-12-16(11-27-31)20-14(3)10-26-22(29-20)28-17-4-5-19-15(8-17)6-7-30(19)21(32)18-9-23(18,24)25/h4-5,8,10-13,18H,6-7,9H2,1-3H3,(H,26,28,29).
What are the key properties of (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone?
(2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone has a molecular weight of 438.48 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-[5-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]-2,3-dihydroindol-1-yl]methanone is sourced from PubChem (CID 164620516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).